24083-13-4Relevant academic research and scientific papers
Rational Design of Efficient Organic Phototherapeutic Agents via Perturbation Theory for Enhancing Anticancer Therapeutics
Xu, Yunjian,Zhao, Menglong,Wu, Licai,Li, Feiyang,Li, Mingdang,Xie, Mingjuan,Liu, Shujuan,Huang, Wei,Zhao, Qiang
, p. 1378 - 1383 (2019)
The development of efficient phototherapeutic agents (PTA) through rational and specific principles exhibits great potential to the biomedical field. In this study, a facile and rational strategy was used to design PTA through perturbation theory. Accordi
Synthesis and mesomorphic properties of new methylene-linked linear symmetrical liquid crystal dimers
Al-Hamdani, Uhood J.,Al-Ibrahim, Aiman G.,Abbo, Hanna S.,Titinchi, Salam J.J.
, p. 13 - 22 (2015)
A series of methylene-linked symmetrical liquid crystal dimers were synthesized. Their structures were confirmed by physicochemical techniques. Differential scanning calorimetry and polarizing optical microscopy verified the liquid crystal behaviors and t
"colored" inorganic dopants for inducing liquid crystal chiral nematic and blue phases: Monitoring of dopant-host interaction by Raman spectroscopy
Yoshida, Jun,Tamura, Shuhei,Watanabe, Go,Kasahara, Yasutoshi,Yuge, Hidetaka
, p. 5103 - 5106 (2017)
A new ruthenium complex that effectively induces chiral nematic and blue phases upon doping with a nematic liquid crystal was developed. The red-colored dopant exhibits strong Raman scattering in solution and nematics even at low concentrations. Further m
Novel Fluorescent Fluorene-Containing Conjugated Polymers: Synthesis, Photophysical Properties, and Application for the Detection of Common Bisphenols
Jones, Daniel R.,Vallee, Ryan,Levine, Mindy
, p. 2515 - 2522 (2018)
Eight new fluorescent conjugated polymers were synthesized by the Suzuki polycondensation reaction of 9,9-dioctylfluorene-2,7-diboronic acid bis(1,3-propanediol) ester and a conjugated dihalogenated monomer. The photophysical properties of these polymers were investigated as well-dissolved solutions in chloroform and as nanoparticle suspensions in water. Several of the polymers had large Stokes shifts (greater than 100 nm) and others demonstrated unique changes in the fluorescence properties in aggregated verse nonaggregated forms. Preliminary applications of these polymers in the detection of common bisphenols are also reported.
Synthesis, mesomorphism, photophysics and device performance of liquid-crystalline pincer complexes of gold(iii)
Parker, Rachel R.,Liu, Denghui,Yu, Xiankang,Whitwood, Adrian C.,Zhu, Weiguo,Williams,Wang, Yafei,Lynam, Jason M.,Bruce, Duncan W.
supporting information, p. 1287 - 1302 (2021/02/12)
Emissive gold(iii) complexes of pincer 2,6-diphenylpyridines also bearing a phenylacetylide ligand have been modified at both the pincer and phenylacetylide to confer liquid crystalline properties, with most complexes showing a columnar hexagonal phase in
Lipophilic tail modifications of 2-(hydroxymethyl)pyrrolidine scaffold reveal dual sphingosine kinase 1 and 2 inhibitors
Li, Hao,Sibley, Christopher D.,Kharel, Yugesh,Huang, Tao,Brown, Anne M.,Wonilowicz, Laura G.,Bevan, David R.,Lynch, Kevin R.,Santos, Webster L.
, (2021/01/07)
The sphingosine 1-phosphate (S1P) signaling pathway is an attractive target for pharmacological manipulation due to its involvement in cancer progression and immune cell chemotaxis. The synthesis of S1P is catalyzed by the action of sphingosine kinase 1 or 2 (SphK1 or SphK2) on sphingosine and ATP. While potent and selective inhibitors of SphK1 or SphK2 have been reported, development of potent dual SphK1/SphK2 inhibitors are still needed. Towards this end, we report the structure–activity relationship profiling of 2-(hydroxymethyl)pyrrolidine-based inhibitors with 22d being the most potent dual SphK1/SphK2 inhibitor (SphK1 Ki = 0.679 μM, SphK2 Ki = 0.951 μM) reported in this series. 22d inhibited the growth of engineered Saccharomyces cerevisiae and decreased S1P levels in histiocytic lymphoma myeloid cell line (U937 cells), demonstrating inhibition of SphK1 and 2 in vitro. Molecular modeling studies of 22d docked inside the Sph binding pocket of both SphK1 and SphK2 indicate essential hydrogen bond between the 2-(hydroxymethyl)pyrrolidine head to interact with aspartic acid and serine residues near the ATP binding pocket, which provide the basis for dual inhibition. In addition, the dodecyl tail adopts a “J-shape” conformation found in crystal structure of sphingosine bound to SphK1. Collectively, these studies provide insight into the intermolecular interactions in the SphK1 and 2 active sites to achieve maximal dual inhibitory activity.
Effect of New Analogs of Hexyloxy Phenyl Imidazoline on Quorum Sensing in Chromobacterium violaceum and in Silico Analysis of Ligand-Receptor Interactions
Bello, Martiniano,Correa-Basurto, José,Curiel-Quesada, Everardo,Herrera-Arizmendi, José Luis,Reyes-Arellano, Alicia
, (2020/03/17)
The increasing common occurrence of antibiotic-resistant bacteria has become an urgent public health issue. There are currently some infections without any effective treatment, which require new therapeutic strategies. An attractive alternative is the design of compounds capable of disrupting bacterial communication known as quorum sensing (QS). In Gram-negative bacteria, such communication is regulated by acyl-homoserine lactones (AHLs). Triggering of QS after bacteria have reached a high cell density allows them to proliferate before expressing virulence factors. Our group previously reported that hexyloxy phenylimidazoline (9) demonstrated 71% inhibitory activity of QS at 100 μM (IC50 = 90.9 μM) in Chromobacterium violaceum, a Gram-negative bacterium. The aim of the present study was to take 9 as a lead compound to design and synthesize three 2-imidazolines (13-15) and three 2-oxazolines (16-18), to be evaluated as quorum-sensing inhibitors on C. violaceum CV026. We were looking for compounds with a higher affinity towards the Cvi receptor of this bacterium and the ability to inhibit QS. The binding mode of the test compounds on the Cvi receptor was explored with docking studies and molecular dynamics. It was found that 8-pentyloxyphenyl-2-imidazoline (13) reduced the production of violacein (IC50 = 56.38 μM) without affecting bacterial growth, suggesting inhibition of quorum sensing. Indeed, compound 13 is apparently one of the best QS inhibitors known to date. Molecular docking revealed the affinity of compound 13 for the orthosteric site of N-hexanoyl homoserine lactone (C6-AHL) on the CviR protein. Ten amino acid residues in the active binding site of C6-AHL in the Cvi receptor interacted with 13, and 7 of these are the same as those interacting with AHL. Contrarily, 8-octyloxyphenyl-2-imidazoline (14), 8-decyloxyphenyl-2-imidazoline (15), and 9-decyloxyphenyl-2-oxazoline (18) bound only to an allosteric site and thus did not compete with C6-AHL for the orthosteric site.
1,3-Oxazine-2-one derived dual-targeted molecules against replicating and non-replicating forms of Mycobacterium tuberculosis
Velappan, Anand Babu,Kesamsetty, Dhanunjaya,Datta, Dhrubajyoti,Ma, Rui,Hari, Natarajan,Franzblau, Scott G.,Debnath, Joy
supporting information, (2020/10/02)
The high mortality rate and increasing prevalence of resistant Mtb are the major concerns for the Tuberculosis (TB) treatment in this century. To curtail the prevalence of resistant Mtb, we have prepared 1,3-oxazine-2-one based dual targeted molecules. Compound 67 and 68 were found to be equally active against replicating and non-replicatiing form of Mtb (MICMABA 3.48 and 2.97 μg/ml; MICLORA 2.94 and 2.15 μg/ml respectively). They had found to suppress the biosynthesis of alfa, methoxy and keto-mycolate completely, as well as inhibit enzymatic activity of MenG (IC50 = 9.11 and 6.25 μg/ml respectively for H37Ra; IC50 = 11.76 and 10.88 μg/ml respectively for M smegmatis).
2-Aryl benzazole derived new class of anti-tubercular compounds: Endowed to eradicate mycobacterium tuberculosis in replicating and non-replicating forms
Datta, Dhrubajyoti,Debnath, Joy,Franzblau, Scott G.,Ghosh, Kalyan Sundar,Hari, Natarajan,Ma, Rui,Rana, Shiwani,Velappan, Anand Babu
, (2020/09/04)
The high mortality rate and the increasing prevalence of Mtb resistance are the major concerns for the Tuberculosis (TB) treatment in this century. To counteract the prevalence of Mtb resistance, we have synthesized 2-aryl benzazole based dual targeted molecules. Compound 9m and 9n were found to be equally active against replicating and non-replicating form of Mtb (MIC(MABA) 1.98 and 1.66 μg/ml; MIC(LORA) 2.06 and 1.59 μg/ml respectively). They arrested the cell division (replicating Mtb) by inhibiting the GTPase activity of FtsZ with IC50 values 45 and 64 μM respectively. They were also capable of kill Mtb in non-replicating form by inhibiting the biosynthesis of menaquinone which was substantiated by the MenG inhibition (IC50 = 11.62 and 7.49 μM respectively) followed by the Vit-K2 rescue study and ATP production assay.
Side chain modified porphyrin molecules and application thereof
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Paragraph 0068; 0072-0073, (2019/12/25)
The invention discloses side chain modified porphyrin molecules and application thereof. According to the side chain modified porphyrin molecules, porphyrin molecules with electron enriching functionsare adopted as a core of capturing charges, an alkoxy chain segment is adopted as an inhibition part of a charge transfer process, and the molecules are ensured to be applied to flexible structures for solution processing. Molecule structures are reasonably designed from the view of film morphologies, preparation processes and performance regulation and control, and properties of organic field effect transistor storage devices are compared. The invention provides a material and device preparation method which is feasible in commercial popularization, low in cost and simple in process while properties of storage devices are regulated.
